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Molecular dynamics is a valuable tool to probe biological processes at the atomistic level - a resolution often elusive to experiments. However, the credibility of molecular models is limited by the accuracy of the underlying force field,…

Chemical Physics · Physics 2025-11-10 Vojtech Kostal , Brennon L. Shanks , Pavel Jungwirth , Hector Martinez-Seara

Biological membranes constitute boundaries of cells and cell organelles. Physico-chemical mechanisms at the atomic scale are dictated by protein-lipid interaction strength, lipid composition, lipid distribution in the vicinity of the…

Biological Physics · Physics 2015-10-19 N. Ramakrishnan , P. B. Sunil Kumar , Ravi Radhakrishnan

Convolutional neural networks (CNN) are utilized to encode the relation between initial configurations of obstacles and three fundamental quantities in porous media: porosity ($\varphi$), permeability $k$, and tortuosity ($T$). The…

Computational Physics · Physics 2022-03-16 Krzysztof M. Graczyk , Maciej Matyka

In this paper we examine how porosity fluctuations affect the hydrodynamic permeability of a porous matrix or membrane. We introduce a fluctuating Darcy model, which couples the Navier-Stokes equation to the space- and time-dependent…

Soft Condensed Matter · Physics 2026-02-25 Albert Dombret , Adrien Sutter , Baptiste Coquinot , Nikita Kavokine , Benoit Coasne , Lydéric Bocquet

This study discusses acoustic dissipation, which contributes to inaccuracies in impedance tube measurements. To improve the accuracy of these measurements, this paper introduces a transfer function model that integrates diverse dissipation…

Classical Physics · Physics 2024-03-27 Ziqi Chen , Ning Xiang

Motivation: In the last few years a growing interest in biology has been shifting towards the problem of optimal information extraction from the huge amount of data generated via large scale and high-throughput techniques. One of the most…

Quantitative Methods · Quantitative Biology 2007-05-23 M. Leone , A. Pagnani

In this paper we derive a pore-scale model for permeable biofilm formation in a two-dimensional pore. The pore is divided in two phases: water and biofilm. The biofilm is assumed to consist of four components: water, extracellular polymeric…

Bayesian filtering is a general framework for recursively estimating the state of a dynamical system. Classical solutions such that Kalman filter and Particle filter are introduced in this report. Gaussian processes have been introduced as…

Information Theory · Computer Science 2010-11-04 Mr. Chong Han , Dr. Ido Nevat , Dr. Gareth Peters , Prof. Jinhong Yuan

Membrane bending is an extensively studied problem from both modeling and experimental perspectives because of the wide implications of curvature generation in cell biology. Many of the curvature generating aspects in membranes can be…

Soft Condensed Matter · Physics 2021-07-21 Arijit Mahapatra , David Saintillan , Padmini Rangamani

We study the effect of intracellular ion diffusion on ionic currents permeating through the cell membrane. Ion flux across the cell membrane is mediated by special proteins forming specific channels. The structure of potassium channels have…

Cell Behavior · Quantitative Biology 2015-02-20 D. Andreucci , D. Bellaveglia , E. N. M. Cirillo , S. Marconi

Concept Bottleneck Models (CBMs) improve the explainability of black-box Deep Learning (DL) by introducing intermediate semantic concepts. However, standard CBMs often overlook domain-specific relationships and causal mechanisms, and their…

Machine Learning · Computer Science 2026-01-16 Reza M. Asiyabi , SEOSAW Partnership , Steven Hancock , Casey Ryan

Virtually all cells use energy and ion-specific membrane pumps to maintain large transmembrane gradients of Na$^+$, K$^+$, Cl$^-$, Mg$^{++}$, and Ca$^{++}$. Although they consume up to 1/3 of a cell's energy budget, the corresponding…

Cell Behavior · Quantitative Biology 2024-03-18 Dipesh Niraula , Issam El Naqa , Jack Adam Tuszynski , Robert A. Gatenby

The determination of potentials of mean force for solute insertion in a membrane by means of all-atom molecular dynamics simulations is often hampered by sampling issues. A multiscale approach to conformational sampling was recently…

Chemical Physics · Physics 2017-10-09 Roberto Menichetti , Kurt Kremer , Tristan Bereau

Estimating the parameters of mathematical models is a common problem in almost all branches of science. However, this problem can prove notably difficult when processes and model descriptions become increasingly complex and an explicit…

Machine Learning · Statistics 2024-02-09 Stefan T. Radev , Ulf K. Mertens , Andreas Voss , Lynton Ardizzone , Ullrich Köthe

Pore structures and gas transport properties in porous separators for polymer electrolyte fuel cells are evaluated both experimentally and through simulations. In the experiments, the gas permeabilities of two porous samples, a conventional…

In this paper, we consider the well known problem of non-linear identification of the rates of the reactions involved in cells with Monod functions. In bioprocesses, generating data is very expensive and long and so it is important to…

Methodology · Statistics 2024-02-08 Kévin Colin , Håkan Hjalmarsson , Véronique Chotteau

We study a model problem on the filtration of a conducting fluid through a porous layer. A porous medium is presented as an assemblage of identical spherical cells. Each cell consists of a porous core and liquid shell. We show the…

Analysis of PDEs · Mathematics 2026-04-20 Yulia Koroleva

The particle filter is a popular Bayesian filtering algorithm for use in cases where the state-space model is nonlinear and/or the random terms (initial state or noises) are non-Gaussian distributed. We study the behavior of the error in…

Computation · Statistics 2019-03-29 Ziyu Liu , Shihong Wei , James C. Spall

We consider the lateral diffusion of a protein interacting with the curvature of the membrane. The interaction energy is minimized if the particle is at a membrane position with a certain curvature that agrees with the spontaneous curvature…

Soft Condensed Matter · Physics 2008-12-10 Stefan M. Leitenberger , Ellen Reister-Gottfried , Udo Seifert

We analyze the performance of membrane filters represented by pore networks using two criteria: 1) total volumetric throughput of filtrate over the filter lifetime and 2) accumulated foulant concentration in the filtrate. We first formulate…

Fluid Dynamics · Physics 2022-03-09 Binan Gu , Lou Kondic , Linda J. Cummings
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